General Information of the Compound
| Compound ID |
CP0197411
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| Compound Name |
(2S,3S,4R,5R)-3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]-2-methylsulfanylpurin-9-yl]-N-methyloxolane-2-carboxamide
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| Structure |
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| Formula |
C19H21IN6O4S
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| Molecular Weight |
556.386
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| Canonical SMILES |
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(SC)nc12
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| InChI |
InChI=1S/C19H21IN6O4S/c1-21-17(29)14-12(27)13(28)18(30-14)26-8-23-11-15(24-19(31-2)25-16(11)26)22-7-9-4-3-5-10(20)6-9/h3-6,8,12-14,18,27-28H,7H2,1-2H3,(H,21,29)(H,22,24,25)/t12-,13+,14-,18+/m0/s1
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| InChIKey |
OIHRRULXBCUMIP-MOROJQBDSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound